(2,5-dimethylphenyl)-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: (2,5-dimethylphenyl)-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]methanone Openeye Name: [2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]-(2,5-dimethylphenyl)methanone CAS Name: (2,5-dimethylphenyl)-[2-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: [2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]-(2,5-dimethylphenyl)methanone Traditional Name: [2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]-(2,5-dimethylphenyl)methanone Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-20-12-13-21(2)25(18-20)26(30)23-10-6-7-11-24(23)27(31)28-14-16-29(17-15-28)34(32,33)19-22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3